(E)-3-(1,3-benzodioxol-5-yl)-1-(3,6,7-trimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3,6,7-trimethyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3,6,7-trimethyl-4-oxido-1-oxo-quinoxalin-1-ium-2-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3,6,7-trimethyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(1-keto-3,6,7-trimethyl-4-oxido-quinoxalin-1-ium-2-yl)prop-2-en-1-one Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O5/c1-12-8-16-17(9-13(12)2)23(26)21(14(3)22(16)25)18(24)6-4-15-5-7-19-20(10-15)28-11-27-19/h4-10H,11H2,1-3H3/b6-4+